Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21172502 | 0.88 | SRD5A1 (0.45) | SRD5A1SRD5A2SMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL24347596 | 0.88 | SRD5A1 (0.45) | SRD5A1SRD5A2SMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL24347185 | 0.87 | SRD5A1 (0.44) | SRD5A1SRD5A2SMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL21172626 | 0.86 | SRD5A1 (0.43) | SRD5A1SRD5A2SMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL24347614 | 0.86 | SRD5A1 (0.43) | SRD5A1SRD5A2SMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL21172631 | 0.84 | TP53 (0.43) | SRD5A1SRD5A2SMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL21172578 | 0.84 | TP53 (0.43) | SRD5A1SRD5A2SMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL21173212 | 0.83 | TDP1 (0.43) | ALDH1A1MAPTL3MBTL1KDM4EHPGD | |
| SCHEMBL21172814 | 0.83 | TDP1 (0.43) | ALDH1A1MAPTL3MBTL1KDM4EHPGD | |
| SCHEMBL21172659 | 0.82 | KDM4E (0.43) | ALDH1A1MAPTKDM4EHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3511323-A1 | 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS | GlaxoSmithKline Intellectual Property (No.2) Limited (GB) | 2019-07-17 | — | — | EP | disclosed |